1-(1,2,3-trimethylindol-6-yl)propan-2-amine

C14H20N2 — CID 117308494

IUPAC1-(1,2,3-trimethylindol-6-yl)propan-2-amine
SMILESCc1c(C)n(C)c2cc(CC(C)N)ccc12
InChIInChI=1S/C14H20N2/c1-9(15)7-12-5-6-13-10(2)11(3)16(4)14(13)8-12/h5-6,8-9H,7,15H2,1-4H3
InChIKeyFCBAGZVDTRCWIJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.68
Rot. Bonds2

About 1-(1,2,3-trimethylindol-6-yl)propan-2-amine

1-(1,2,3-trimethylindol-6-yl)propan-2-amine (PubChem CID 117308494) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(1,2,3-trimethylindol-6-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,2,3-trimethylindol-6-yl)propan-2-amine
PubChem CID117308494
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(1,2,3-trimethylindol-6-yl)propan-2-amine
SMILESCc1c(C)n(C)c2cc(CC(C)N)ccc12
InChIInChI=1S/C14H20N2/c1-9(15)7-12-5-6-13-10(2)11(3)16(4)14(13)8-12/h5-6,8-9H,7,15H2,1-4H3
InChIKeyFCBAGZVDTRCWIJ-UHFFFAOYSA-N
XLogP2.68
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-(1,2,3-trimethylindol-5-yl)propan-2-amine
CID 115006318
2-methyl-3-(1,2,3-trimethylindol-6-yl)propanoic acid
CID 117365476
2-(1,2,3-trimethylindol-6-yl)ethanamine
CID 82397040
6-(isocyanomethyl)-1,2,3-trimethylindole
CID 83485141
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
1-(1,2,3-trimethylindol-6-yl)ethanol
CID 117291889
5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
CID 83882487
1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
CID 117313447
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
CID 117431684
1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine
CID 84730588
4-(1,2,6-trimethylindol-3-yl)butan-2-amine
CID 82495296
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3-trimethylindol-6-yl)propan-2-amine?
The IUPAC name of 1-(1,2,3-trimethylindol-6-yl)propan-2-amine (CID 117308494) is 1-(1,2,3-trimethylindol-6-yl)propan-2-amine.
What is the SMILES notation for 1-(1,2,3-trimethylindol-6-yl)propan-2-amine?
The canonical SMILES for 1-(1,2,3-trimethylindol-6-yl)propan-2-amine is Cc1c(C)n(C)c2cc(CC(C)N)ccc12.
What is the InChIKey of 1-(1,2,3-trimethylindol-6-yl)propan-2-amine?
The InChIKey is FCBAGZVDTRCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9(15)7-12-5-6-13-10(2)11(3)16(4)14(13)8-12/h5-6,8-9H,7,15H2,1-4H3.
What are the key properties of 1-(1,2,3-trimethylindol-6-yl)propan-2-amine?
1-(1,2,3-trimethylindol-6-yl)propan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3-trimethylindol-6-yl)propan-2-amine is sourced from PubChem (CID 117308494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).